2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile

C21H19N3 — CID 5230497

IUPAC2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccccc3C)nc(N)c2C#N)c1
InChIInChI=1S/C21H19N3/c1-13-8-9-15(3)17(10-13)18-11-20(24-21(23)19(18)12-22)16-7-5-4-6-14(16)2/h4-11H,1-3H3,(H2,23,24)
InChIKeyCBAPCJGHXVJDFU-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.79
Rot. Bonds2

About 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile

2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile (PubChem CID 5230497) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
PubChem CID5230497
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(C)c(-c2cc(-c3ccccc3C)nc(N)c2C#N)c1
InChIInChI=1S/C21H19N3/c1-13-8-9-15(3)17(10-13)18-11-20(24-21(23)19(18)12-22)16-7-5-4-6-14(16)2/h4-11H,1-3H3,(H2,23,24)
InChIKeyCBAPCJGHXVJDFU-UHFFFAOYSA-N
XLogP4.79
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile (CID 5230497) is 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile is Cc1ccc(C)c(-c2cc(-c3ccccc3C)nc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
The InChIKey is CBAPCJGHXVJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-13-8-9-15(3)17(10-13)18-11-20(24-21(23)19(18)12-22)16-7-5-4-6-14(16)2/h4-11H,1-3H3,(H2,23,24).
What are the key properties of 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile?
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 5230497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).